%chk=000192031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192031

0 1
O -4.379947 2.095178 -0.168897
O -5.665262 2.143888 -0.783160
O 4.111268 -0.779277 -0.412194
O 1.934889 -0.327113 -0.202718
C 2.515602 2.809346 0.340385
C 4.042474 2.927526 0.272501
C 4.718898 2.044209 1.329349
C 1.836045 3.582576 -0.799058
C 6.240157 2.108006 1.241908
C 0.346696 3.400916 -0.830083
C -3.841766 0.767802 -0.477598
C -4.418043 -0.231468 0.542569
C 1.266451 -2.785030 -1.628222
C 1.021152 -3.694220 -0.412943
C -0.269578 2.221787 -0.666167
C 2.677638 -2.190284 -1.635977
C -2.354201 0.948103 -0.377850
C -2.605397 -3.645547 1.015190
C -3.878427 -1.609881 0.318897
C -0.451743 -3.922701 -0.232184
C -1.724245 2.075440 -0.735621
C -3.210443 -2.290443 1.254773
C -1.121265 -3.488877 0.839139
C 2.790090 -1.028214 -0.694718
H 2.211181 1.739357 0.295468
H 2.143293 3.179665 1.314383
H 4.401455 2.650673 -0.737608
H 4.347683 3.982257 0.415596
H 2.085868 4.659432 -0.716457
H 2.251216 3.254472 -1.776901
H 4.379190 0.984274 1.213388
H 4.383928 2.343687 2.342565
H 6.607959 1.781865 0.262033
H 6.608730 3.128617 1.402051
H 6.711491 1.470536 1.998839
H -0.216677 4.315763 -1.019691
H -4.149754 0.505690 -1.516342
H -4.208789 0.134164 1.568643
H -5.524759 -0.236839 0.451767
H 1.097337 -3.351508 -2.563915
H 0.518105 -1.960757 -1.631017
H 1.464542 -3.237035 0.495897
H 1.541681 -4.663990 -0.543284
H 0.301005 1.303769 -0.469078
H 3.442308 -2.958739 -1.387272
H 2.946411 -1.842613 -2.658822
H -1.817884 0.075272 0.002251
H -3.068958 -4.146702 0.140768
H -2.811919 -4.315077 1.878238
H -4.055624 -2.016933 -0.676898
H -0.940209 -4.449051 -1.050721
H -2.289185 2.942178 -1.096156
H -3.031260 -1.881722 2.249397
H -0.622798 -2.959740 1.653456
H -6.204841 2.439695 0.006405
H 4.238232 0.031119 0.198495


%chk=000192031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192031

0 1
O -4.954272 2.341910 0.737503
O -6.466952 2.190038 0.430872
O 5.198402 -1.356120 -0.129597
O 3.174083 -1.178512 0.987565
C 2.433769 2.335221 0.025286
C 3.975701 2.439771 0.014098
C 4.606848 2.204419 1.405475
C 1.811905 2.560149 -1.369520
C 6.151141 2.211459 1.374576
C 0.314699 2.367189 -1.472855
C -4.285339 1.144410 0.137427
C -4.770585 -0.162629 0.817746
C 1.678589 -1.884724 -1.439419
C 1.195658 -3.171370 -0.715547
C -0.531619 2.015053 -0.457092
C 3.211757 -1.721193 -1.440535
C -2.820368 1.420065 0.355102
C -2.662808 -3.470498 0.189567
C -4.145209 -1.388114 0.186480
C -0.307810 -3.337417 -0.798792
C -1.965729 1.810338 -0.637775
C -3.340547 -2.270435 0.832679
C -1.147150 -3.358049 0.268401
C 3.794497 -1.403030 -0.075527
H 2.147670 1.334812 0.406925
H 2.018301 3.075632 0.738862
H 4.388331 1.695038 -0.700335
H 4.282999 3.436131 -0.367793
H 2.066489 3.582084 -1.727280
H 2.301142 1.877514 -2.100970
H 4.240668 1.237364 1.805679
H 4.246817 2.984818 2.106209
H 6.538725 1.432979 0.687938
H 6.538405 3.184292 1.017404
H 6.579082 2.027605 2.377499
H -0.117053 2.519800 -2.475830
H -4.527956 1.131217 -0.944377
H -4.525325 -0.116656 1.896344
H -5.873511 -0.187775 0.721589
H 1.329937 -1.906199 -2.490846
H 1.206281 -1.005099 -0.963662
H 1.510283 -3.135738 0.343414
H 1.699205 -4.046316 -1.180903
H -0.134094 1.856398 0.554476
H 3.714678 -2.631087 -1.822184
H 3.523081 -0.902211 -2.119452
H -2.442938 1.267070 1.376047
H -2.981400 -3.566113 -0.865498
H -2.986387 -4.396223 0.713074
H -4.354943 -1.545521 -0.883808
H -0.733799 -3.419588 -1.812553
H -2.366184 1.961986 -1.652533
H -3.119908 -2.107313 1.899987
H -0.721979 -3.260829 1.280184
H -6.827997 2.436311 1.328314
H 5.552721 -1.118815 0.770760


